(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide

C18H27N3O2 — CID 120800926

IUPAC(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
SMILESCN(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)Cc2ccccc2C1
InChIInChI=1S/C18H27N3O2/c1-21(2)18(9-13-5-3-4-6-14(13)10-18)12-20-17(22)16-8-7-15(11-19)23-16/h3-6,15-16H,7-12,19H2,1-2H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyNAQFVHBENRZTBZ-CVEARBPZSA-N
MW317.43 g/mol
LogP0.71
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 120800926) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
PubChem CID120800926
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
SMILESCN(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)Cc2ccccc2C1
InChIInChI=1S/C18H27N3O2/c1-21(2)18(9-13-5-3-4-6-14(13)10-18)12-20-17(22)16-8-7-15(11-19)23-16/h3-6,15-16H,7-12,19H2,1-2H3,(H,20,22)/t15-,16+/m1/s1
InChIKeyNAQFVHBENRZTBZ-CVEARBPZSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide with MolForge

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Related Compounds

5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]oxolane-2-carboxamide
CID 83110105
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(2S,5R)-5-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798867
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120787008
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120783535
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]oxolane-2-carboxamide
CID 120794770
(2S,5R)-5-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120792797
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
(2S,5R)-5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120783134
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
1-[[[5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450789

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide (CID 120800926) is (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide is CN(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)Cc2ccccc2C1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is NAQFVHBENRZTBZ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(2)18(9-13-5-3-4-6-14(13)10-18)12-20-17(22)16-8-7-15(11-19)23-16/h3-6,15-16H,7-12,19H2,1-2H3,(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120800926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).